SCHEMBL4576844

SCHEMBL4576844

NCCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.52
ERBB2 P04626 2/20 0.51
KCNH2 Q12809 2/20 0.51
CYP2D6 P10635 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
FBP1 P09467 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19123892 0.89 KCNH2 (0.51) EGFRERBB2KCNH2CYP2D6ABCG2
SCHEMBL4778106 0.87 ABCG2 (0.65) EGFRERBB2KCNH2ABCG2
SCHEMBL29989073 0.87 ABCG2 (0.65) EGFRERBB2KCNH2ABCG2
SCHEMBL4578020 0.87 EGFR (0.50) EGFRABCG2FBP1
SCHEMBL4577331 0.86 KDR (0.53) EGFRERBB2FBP1
SCHEMBL29719006 0.85 EGFR (0.60) EGFRKCNH2ABCG2
SCHEMBL4576452 0.85 EGFR (0.60) EGFRKCNH2ABCG2
SCHEMBL5091094 0.85 KDR (0.62) EGFR
SCHEMBL4579621 0.85 FBP1 (0.50) EGFRABCG2FBP1
Hydrochloric Acid SCHEMBL4775089 0.85 EGFR (0.59) EGFRKCNH2ABCG2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846699-B2 Quinazoline derivatives as a multiplex inhibitor and method for the preparation thereof HANMI PHARM. CO., LTD. (KR) 2014-09-30 US disclosed
EP-1951686-B1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM IND CO LTD (KR) 2013-04-03 EP disclosed
CN-101304978-B Quinazoline derivative as multi-component inhibitor, pharmaceutical composition and application HANMI PHARM IND CO LTD 2012-12-26 CN disclosed
US-20080318950-A1 Quinazoline Derivatives as a Multiplex Inhibitor and Method For the Preparation Thereof HANMI PHARM. CO., LTD (KR) 2008-12-25 US disclosed
CN-101304978-A Quinazoline derivatives as multiplex inhibitors and process for their preparation HANMI PHARM IND CO LTD (KR) 2008-11-12 CN disclosed
EP-1951686-A1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF Hanmi Pharm. Co., Ltd. (KR) 2008-08-06 EP disclosed
WO-2007055514-A1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2007-05-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080318950-A1 Quinazoline Derivatives as a Multiplex Inhibitor and Method For the Preparation Thereof ABL1, JAK1, BTK EGFR 955/4885ERBB2 220/4885KCNH2 1317/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.